5-oxidanylidene-5-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]pentanoate

Systemtic Name: 5-oxidanylidene-5-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]pentanoate Openeye Name: 5-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-oxo-5-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumyl]pentanoate IUPAC Name: 5-oxo-5-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]pentanoate Traditional Name: 5-[4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-5-keto-valerate Formula: C14H25N3O4 MolecularWeight: 299.366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C14H25N3O4/c1-11(2)15-12(18)10-16-6-8-17(9-7-16)13(19)4-3-5-14(20)21/h11H,3-10H2,1-2H3,(H,15,18)(H,20,21)